Research/Sitter/MAGNDATA / 0.804_MoP3SiO11.mcif

MoP₃SiO₁₁

MAGNDATA entry 0.804 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹3̄¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 6.8 K (−266 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C 2/c′ BNS 15.88
Point group	2/m′
Parent space group	R 3 c No. 167
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.4015 · b 8.4015 · c 39.8466 Å · α 90° · β 90° · γ 120°
Transition	6.8 K (−266 °C)
Measured at	1.5 K
Magnetic ions	Mo
Largest moment component	3.0415 μ_B
Method	NPD

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in C 2/c′ →

Atom sites · 17 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mo	Mo	0	0	0.1593	1.5208	3.0415	0	2.634
P_1	P	0.3702	0.0323	0.119
P_2	P	0.9677	0.3379	0.119
P_3	P	0.6621	0.6298	0.119
Si	Si	0	0	0.4607
O1_1	O	0.2879	0.818	0.1134
O1_2	O	0.182	0.4699	0.1134
O1_3	O	0.5301	0.7121	0.1134
O2_1	O	0.2237	0.075	0.1271
O2_2	O	0.925	0.1487	0.1271
O2_3	O	0.8513	0.7763	0.1271
O3_1	O	0.5282	0.1048	0.1434
O3_2	O	0.8952	0.4234	0.1434
O3_3	O	0.5766	0.4718	0.1434
O4_1	O	0.4524	0	0.25
O4_2	O	0	0.4524	0.25
O5	O	0	0	0

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

D. I. Badrtdinov et al. PHYSICAL REVIEW B (2021) · doi:10.1103/PhysRevB.104.094428

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.804_MoP3SiO11.mcif from MAGNDATA · entry page

sha256 of this copy: 60d02aec1fa20bd2d9c4b8122c4aa0cdd80ef0a0f9d8da96bd6467432be493ab
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.804_MoP3SiO11.mcif.